SCHEMBL541284

SCHEMBL541284

C[C@@H](OC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.75
OPRM1 P35372 17/20 0.75
OPRK1 P41145 17/20 0.75
OPRD1 P41143 15/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL304093 1.00 OPRL1 (0.75) OPRL1OPRM1OPRK1OPRD1
SCHEMBL580032 0.87 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1
SCHEMBL303799 0.87 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3729279 0.86 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3729276 0.86 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1
SCHEMBL14277129 0.81 LMNA (0.69) OPRL1OPRM1OPRK1
SCHEMBL304322 0.81 OPRL1 (0.72) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2778830 0.81 OPRL1 (0.72) OPRL1OPRM1OPRK1OPRD1
SCHEMBL18526696 0.80 LMNA (0.52) OPRL1OPRM1OPRK1OPRD1
SCHEMBL753058 0.80 LMNA (0.52) OPRL1OPRM1OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414350-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-08 EP disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
WO-2011075439-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 WO disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed